Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- FC(F)(F)c1ccc(Cl)c(NC(=S)NN=C2CCCCCC2)c1
MolClass #154239
YMLJZLKRGXJAEH-UHFFFAOYSA-N
- Cc1cc(OCOc2ccc(Cl)c(C)c2)ccc1Cl
MolClass #154240
IPELERXCTPOVQF-UHFFFAOYSA-N
- CCOC(=O)C(=CNC(SC)=NN=Cc1c(Cl)cccc1Cl)C#N
MolClass #154241
MRTYAXBQCATZIW-UHFFFAOYSA-N
- CSC(N)=NN=Cc1c(F)cccc1Cl
MolClass #154242
ZHUFUOMUUBISIZ-UHFFFAOYSA-N
- COc1ccc(Oc2cc(C)nc3ccccc23)cc1
MolClass #154243
GCPOCABAMBFOIY-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(ccc1Oc1ccc(OC)cc1)C(F)(F)F
MolClass #154244
WJNPONNEXMSLPF-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(ccc1OC(=O)c1c(F)cccc1F)C(F)(F)F
MolClass #154245
ACHNVGSCKVPPMS-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(ccc1NCC(C)O)C(F)(F)F
MolClass #154246
LXEWZOWSTQCFQZ-UHFFFAOYSA-N
- CN1C(NC(=O)c2ccccc12)c1scc(Br)c1
MolClass #154247
KKSQLABLZWFWKW-UHFFFAOYSA-N
- Clc1ccc2NC(=NC(=O)c2c1)c1scc(Br)c1
MolClass #154248
UWYONVIQOHFPEK-UHFFFAOYSA-N
- COC(=O)c1cc(OC)c(OC)c(OC)c1NS(=O)(=O)c1cc(OC)ccc1OC
MolClass #154249
SMWBCFJIROQJMF-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(NCCCCCO)nc1
MolClass #154250
JJCHORLQODYWRU-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(cc1)N1CCOCC1
MolClass #154251
IAJDSUYFELYZCS-UHFFFAOYSA-N
- CCc1sc(NC=NO)nn1
MolClass #154252
WJVMYNBFRCUZMS-UHFFFAOYSA-N
- Cc1onc(NC(=O)NC(=O)c2c(F)cccc2Cl)c1Br
MolClass #154253
AXAGOKRWVYVJKG-UHFFFAOYSA-N
- COC(=O)C(Sc1cc(C)c(Cl)cc1Cl)=CN(C)C
MolClass #154254
IVRCIMDZTUJFEU-UHFFFAOYSA-N
- [O-][N+](=O)c1cccnc1Sc1sc(N=CN(C)C)nn1
MolClass #154255
ZZTDTJCPBKLVJZ-UHFFFAOYSA-N
- Fc1ccc(cc1Cl)S(=O)(=O)NCC1CC1
MolClass #154256
RZEFGBOSIGEEMB-UHFFFAOYSA-N
- Cc1nn(nc1C(=O)NC(=O)N1CCCC1)c1ccccc1
MolClass #154257
DXAQSWLLWIARSV-UHFFFAOYSA-N
- COC(=O)c1sccc1OC(=O)c1c(F)cccc1F
MolClass #154258
XTRYIEHFGVMPBK-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(ccc1NCCCn1ccnc1)C(F)(F)F
MolClass #154259
DTWYXMBWTASCTF-UHFFFAOYSA-N
- CC(Nc1ccc(F)cc1)=CC(=O)Nc1ccc(F)cc1
MolClass #154260
AALRSXINFPAQRF-UHFFFAOYSA-N
- CN(C)C=Nc1sc(Sc2sc3ccc(Cl)cc3n2)nn1
MolClass #154261
UELCHGKCXSNDCS-UHFFFAOYSA-N
- Clc1cc(Cl)cc(OS(=O)(=O)c2cccc(c2)S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)c1
MolClass #154262
GRYURKSWXDYZOA-UHFFFAOYSA-N
- Clc1ccc(cc1)C=c1c(=O)onc1c1ccccc1
MolClass #154263
IUHJZGGSXVWJMS-UHFFFAOYSA-N
- CCOC(=O)Cc1csc(NC=NO)n1
MolClass #154264
XWKJZNGCKMMXFU-UHFFFAOYSA-N
- OS(=O)(=O)c1cccc2cccc(Cl)c21
MolClass #154265
OPFNCYFEIBUZHU-UHFFFAOYSA-N
- NC(=NOS(=O)(=O)c1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F
MolClass #154266
JZJHOHVRPKUUOB-UHFFFAOYSA-N
- Clc1ccc(SCC2CC(=O)NN=2)cc1
MolClass #154267
NWIYVZZDWHHYGV-UHFFFAOYSA-N
- CCCC1=CC(=O)Oc2n(nc(C)c12)c1ccccc1
MolClass #154268
XKQMZASZPONXJR-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(cc1O)S(=O)(=O)c1ccc(Cl)cc1
MolClass #154269
DCSXOPNJAIKIPV-UHFFFAOYSA-N
- Clc1cc(Cl)cc(c1)S(=O)(=O)Oc1ccc(OCc2ccccc2)cc1
MolClass #154270
FSDXJECZHCUWRJ-UHFFFAOYSA-N
- O=C1NCCCCC1NC(=O)c1ccccc1NC(=O)c1sccc1
MolClass #154271
FHOCPMCSEZAWHQ-UHFFFAOYSA-N
- Cc1nn(nc1c1oc(nn1)c1ccc(Cl)cc1)c1ccccc1
MolClass #154272
WMBAHDJENNAAQK-UHFFFAOYSA-N
- O=C(CC#N)Nc1ccccn1
MolClass #154273
PMEKHNOMXFPLAK-UHFFFAOYSA-N
- Clc1ccc(NC(=O)c2cnccn2)c(Cl)c1
MolClass #154274
BDRPLWMNFQBWKA-UHFFFAOYSA-N
- CN(C)C=Nc1sc(SCc2ccc(cc2)C(=O)Oc2ccc(F)cc2F)nn1
MolClass #154275
UEMSEAXPTRZXHQ-UHFFFAOYSA-N
- COC(=O)c1ccc(Cl)cc1N(Cc1ccccc1)S(C)(=O)=O
MolClass #154276
VMZDQLVWPOVYHN-UHFFFAOYSA-N
- [O-][N+](=O)c1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1
MolClass #154277
DWSZETYWEVWZRK-UHFFFAOYSA-N
- [O-][N+](=O)c1ccccc1c1oc(nn1)c1cc(OC)ccc1Br
MolClass #154278
GCIOCHKCTAPXHW-UHFFFAOYSA-N
- CC1C=CC(=O)N(Cc2ccc(Cl)c(Cl)c2)N=1
MolClass #154279
DBBXSRDCSJOTDU-UHFFFAOYSA-N
- CC(C)(C)C1CC(=O)N(N=1)c1ccccc1
MolClass #154280
NOSULZKBEJXMKJ-UHFFFAOYSA-N
- Cc1ccc(cc1)S(=O)(=O)Oc1ccc(CC#N)cc1
MolClass #154281
HYACJSQRJBCQDO-UHFFFAOYSA-N
- CC(=NO)c1ccn(c1)S(=O)(=O)c1ccc(Cl)cc1
MolClass #154282
KTYPSXVQHLOHKE-UHFFFAOYSA-N
- Nc1ccc(Sc2cc(Cl)ccc2Cl)nc1
MolClass #154283
SNXRLTPQEPXSJN-UHFFFAOYSA-N
- Cc1cc(Cl)ccc1Oc1ccc(N)cn1
MolClass #154284
DVXVRGGVIMNANI-UHFFFAOYSA-N
- [O-][N+](=O)c1nc(C)ccc1OCc1ccc(C)cc1
MolClass #154285
FNTJGBKHWFZRNH-UHFFFAOYSA-N
- [O-][N+](=O)c1nc(C)ccc1OS(=O)(=O)c1ccc(Cl)cc1
MolClass #154286
RXWRLNWGSVBGGB-UHFFFAOYSA-N
- CC(=O)Nc1ccc(cc1Br)C(F)(F)F
MolClass #154287
SSPBNPXYQLCJTA-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(OC)c(C(N)=O)c1OC
MolClass #154288
LCQRTQDNVHJBLM-UHFFFAOYSA-N
- CCOC(=O)CC(=O)CSc1sc(N)nn1
MolClass #154289
QHXBJZJIOTXAGE-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(Br)c(OC)c(C(N)=O)c1OC
MolClass #154290
AUMLDFRQRIEROX-UHFFFAOYSA-N
- CCOC(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1F)OCC
MolClass #154291
TUJVAEPWNPWXIR-UHFFFAOYSA-N
- OC(=O)c1nccnc1C(O)=O
MolClass #154292
ZUCRGHABDDWQPY-UHFFFAOYSA-N
- Clc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C=C1NC(=O)NC1=O
MolClass #154293
QRYQVYQRGSPDTI-UHFFFAOYSA-N
- Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(c1ccccc1)c1ccccc1
MolClass #154294
IKUVXTHDMDKSBF-UHFFFAOYSA-N
- COc1ccc(cc1)C=c1c(C)nn(c1=O)c1cccc(Cl)c1
MolClass #154295
IIUMRLXARFSUNT-UHFFFAOYSA-N
- COc1ccc(cc1)N1C(=S)NC(=O)c2cccnc12
MolClass #154296
HCAFQEQAMMNBLP-UHFFFAOYSA-N
- COc1ccccc1N1CC(C)(C)C(=O)N(C(=O)c2c(F)cccc2Cl)C1=S
MolClass #154297
FPTXKTWXBBCTEG-UHFFFAOYSA-N
- COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1
MolClass #154298
GHDITLZVLIOYGT-UHFFFAOYSA-N
- COc1cccc(c1)C(=O)NN=C(C)c1ccccc1O
MolClass #154299
AQTHOBPJHYELFS-UHFFFAOYSA-N
- CN(C)C=Nc1ncccc1OCc1ccc(Cl)c(Cl)c1
MolClass #154300
SXVNPFVCAUPIKN-UHFFFAOYSA-N
- COC(=O)CC(N)=C(C#N)C(=O)OC
MolClass #154301
MTUIWNVBJJHEQM-UHFFFAOYSA-N
- COc1ccc(OC)c(CNC(=O)Cc2sccc2)c1
MolClass #154302
QCFRJURVSQLBFG-UHFFFAOYSA-N
- Cc1ccc(Sc2ncccc2C(=O)NCC(O)=O)cc1
MolClass #154303
OYZWBVDLMBCTMF-UHFFFAOYSA-N
- Cc1c(Cl)cccc1SCC(O)=O
MolClass #154304
MYYDJXQRXGECKC-UHFFFAOYSA-N
- CC(C)(C)OC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1
MolClass #154305
NEOOYEMYEVIWND-UHFFFAOYSA-N
- Cc1ccc(cc1)S(=O)(=O)N1CCCCCC1
MolClass #154306
WYGOYZNQMXVUEJ-UHFFFAOYSA-N
- Cc1onc2C(=O)N(N=C(c3ccccc3)c12)c1ccccc1
MolClass #154307
JXQJWJVSXBROGH-UHFFFAOYSA-N
- Cc1cc(NC=NO)c2ccccc2n1
MolClass #154308
AZMCNKXMHCRIKL-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(cc1)n1nc(C)cc1O
MolClass #154309
WBEUYYLNOZBSTA-UHFFFAOYSA-N
- COc1cccc(CC(=O)NN)c1
MolClass #154310
XEALVGVRTCEVES-UHFFFAOYSA-N
- NC(=O)C1CN(C2CCCCC2)C(=O)C=1O
MolClass #154311
LIJCHKYNHAQXCR-UHFFFAOYSA-N
- COc1ccccc1C1OC(=O)CC1C(O)=O
MolClass #154312
LMMNYYZCVYAOOF-UHFFFAOYSA-N
- [O-][N+](=O)c1cccnc1Oc1ccc(Cl)cc1
MolClass #154313
PVLPMGSHOZNLFN-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(N2CCCC2)c(OC)c1
MolClass #154314
ULBJILHSWMGASA-UHFFFAOYSA-N
- COc1cc(OC)nc(N)n1
MolClass #154315
LVFRCHIUUKWBLR-UHFFFAOYSA-N
- CC(=O)c1ccc(cc1)c1ccc(cc1)C(C)=O
MolClass #154316
YSTSBXDVNKYPTR-UHFFFAOYSA-N
- Oc1nc2cccnc2nc1O
MolClass #154317
ZTCJWOFMAWQWRD-UHFFFAOYSA-N
- CC(C)(C)c1cc(=O)cc(c1=O)C(C)(C)C
MolClass #154318
RDQSIADLBQFVMY-UHFFFAOYSA-N
- ON=C(c1sccc1)c1sccc1
MolClass #154319
UXSSDPITEOFAMK-UHFFFAOYSA-N
- OC(=O)c1oc(C(O)=O)c(OCc2ccccc2)c1OCc1ccccc1
MolClass #154320
ZHFHXTPKRGXQSE-UHFFFAOYSA-N
- CCCC1Oc2cc(O)ccc2C(=O)C=1
MolClass #154321
KILWUYVTGXMRNS-UHFFFAOYSA-N
- CCCCCCc1cc2C(C)=CC(=O)Oc2cc1O
MolClass #154322
XYWUXVDEWJKWNX-UHFFFAOYSA-N
- Cc1ccc(cc1)S(=O)(=O)N1CCC(N)=N1
MolClass #154323
ZXSJPHOSHCYSHT-UHFFFAOYSA-N
- CC(=O)C1COc2ccc(C)cc2C1=O
MolClass #154324
HAVQQQCFUHSSCA-UHFFFAOYSA-N
- CCOC(=O)c1ccc2Oc3ccc(O)cc3C(=O)c2c1
MolClass #154325
IQMCRUASPXAXFO-UHFFFAOYSA-N
- CCCc1ccc(OC)cc1NC(C)=O
MolClass #154326
JLGLTPDRXVFJEZ-UHFFFAOYSA-N
- CCCCOc1ccc(cc1)C(=O)CCC(O)=O
MolClass #154327
ONTSRRHNDXFIRG-UHFFFAOYSA-N
- CCCCCCCCCCc1ccc(cc1)c1ccccc1
MolClass #154328
YYBDFGOLQQVHDV-UHFFFAOYSA-N
- CN1CCN(CC1)C=Nc1ncc(cc1Cl)C(F)(F)F
MolClass #154329
UJIPTLIUVKIFMC-UHFFFAOYSA-N
- N(c1ccccc1)c1ccc(cc1)N=Nc1ccccc1
MolClass #154330
VXLFYNFOITWQPM-UHFFFAOYSA-N
- [O-][N+](=O)c1cccc(C(=O)OC)c1c1c(cccc1[N+]([O-])=O)C(=O)OC
MolClass #154331
VWKXXMPVBIQLRJ-UHFFFAOYSA-N
- Cl.CN1C2CCC1CC(C2)=NO
MolClass #154332
XEGNNKBCZMXBOA-UHFFFAOYSA-N
- Cc1cccc(c1)C(=O)c1ccccc1C(O)=O
MolClass #154333
GVSLNMMHEAMXAJ-UHFFFAOYSA-N
- C1CCC(CC1)c1ccc(cc1)C1CCCCC1
MolClass #154334
QQFSIGWYINAJOB-UHFFFAOYSA-N
- CN1N(C(=O)C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)=C1C)c1ccccc1
MolClass #154335
FKFIYSFRASPONB-UHFFFAOYSA-N
- Nc1cccc2c3ccccc3C(=O)c12
MolClass #154336
KSEPMOMKAQKOSM-UHFFFAOYSA-N
- Clc1ccc(OCCOc2ccc(Cl)cc2)cc1
MolClass #154337
KXCSYFARFKNDBV-UHFFFAOYSA-N
- N#CCCC1(CCC#N)c2ccccc2c2ccccc21
MolClass #154338
COWHDUMHYFLLER-UHFFFAOYSA-N